ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000432
RECORD_TITLE: 3-METHYL-5-NITROINDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHYL-5-NITROINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H8N2O2
CH$EXACT_MASS: 176.05858
CH$SMILES: CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
CH$IUPAC: InChI=1S/C9H8N2O2/c1-6-5-10-9-3-2-7(11(12)13)4-8(6)9/h2-5,10H,1H3
CH$LINK: INCHIKEY LPFQDJBJGFUMRG-UHFFFAOYSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-7900000000-88264a401cf4ed02c60f
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  41 17.4 174
  42 1.9 19
  43 17.4 174
  44 0.1 1
  45 4.4 44
  50 2.8 28
  51 9.7 97
  52 0.38 4
  53 1.6 16
  54 1.2 12
  55 14 140
  56 0.32 3
  57 17.2 172
  60 7.2 72
  61 1.6 16
  62 0.11 1
  63 4 40
  64 1.1 11
  65 1.7 17
  67 0.26 3
  68 2.5 25
  69 28 280
  70 3.1 31
  71 0.72 7
  73 9.3 93
  74 2.7 27
  75 4.4 44
  76 0.48 5
  77 28.8 288
  78 2.8 28
  81 9.6 96
  82 0.2 2
  83 4.8 48
  84 1.9 19
  85 3.1 31
  87 0.14 1
  88 1 10
  91 1.7 17
  95 2.5 25
  96 0.12 1
  97 3 30
  98 1.5 15
  101 3.2 32
  102 1.04 10
  103 30 300
  104 2 20
  111 1.2 12
  115 0.11 1
  117 1.2 12
  118 6.4 64
  128 8.8 88
  129 2.48 25
  130 71.8 718
  131 4.4 44
  137 1.2 12
  146 0.24 2
  175 16 160
  176 99.99 999
  177 8.8 88
//
